Sugi Predict

Sugi Predict / Compounds / SCHEMBL19926591

SCHEMBL19926591

SCHEMBL19926591

CC(C(=O)O)(C(=O)O)c1cc(F)ccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.39
▸ TAS2R14 Q9NYV8 1/20 0.35
▸ FFAR1 O14842 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KEAP1 Q14145 1/20 0.34
▸ KCNN4 O15554 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ RBP4 P02753 2/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL181587 0.86 PKM (0.39) PKMFFAR1FFAR4MAPTMEN1
SCHEMBL19926550 0.81 NPSR1 (0.41) PKMTAS2R14MAPTMEN1KMT2A
SCHEMBL29519425 0.77 MEN1 (0.39) PKMMEN1KMT2ANR3C1
SCHEMBL10322751 0.77 MEN1 (0.39) PKMMEN1KMT2ANR3C1
SCHEMBL278305 0.77 PTGS1 (0.39) PKMFFAR1FFAR4MAPTMEN1
SCHEMBL1345677 0.75 PKM (0.42) PKMMAPTMEN1KMT2ALMNA
SCHEMBL15974121 0.75 NR3C1 (0.36) PKMMAPTMEN1KMT2ALMNA
SCHEMBL29519382 0.75 NR3C1 (0.36) PKMMAPTMEN1KMT2ALMNA
SCHEMBL19693724 0.75 NR3C1 (0.36) PKMMAPTMEN1KMT2ALMNA
SCHEMBL30133804 0.75 NR3C1 (0.36) PKMMAPTMEN1KMT2ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504185-B1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME (US) 2021-11-24 — — EP disclosed
US-10988487-B2 Substituted n′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME CORP. (US) 2021-04-27 — — US disclosed
US-20200231606-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-07-23 — — US disclosed
EP-3504185-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS Merck Sharp & Dohme Corp. (US) 2019-07-03 — — EP disclosed
WO-2018044663-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-08 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10988487-B2 Substituted n′-hydroxycarbamimidoyl-1,2,5-oxadiazole compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT PKM 3204/4885TAS2R14 4822/4885FFAR1 2473/4885
US-20200231606-A1 NOVEL SUBSTITUTED N'-HYDROXYCARBAMIMIDOYL-1,2,5-OXADIAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE (IDO) INHIBITORS IDO1, IDO2, INMT PKM 3353/4885TAS2R14 4770/4885FFAR1 2353/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.